SCHEMBL7460744

SCHEMBL7460744

CC(C)C[C@@H](C=O)NC(=O)c1nccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
RAB9A P51151 1/20 0.48
CNR2 P34972 3/20 0.43
CASP1 P29466 3/20 0.43
CAPN1 P07384 6/20 0.43
CTSB P07858 4/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7561900 0.81 CCR1 (0.53) CCR1RAB9ACNR2HDAC3HDAC4
SCHEMBL24898028 0.80 RAB9A (0.55) CCR1RAB9ACNR2HDAC3HDAC4
SCHEMBL7459754 0.80 CAPN1 (0.54) RAB9ACASP1CAPN1CTSBHDAC8
SCHEMBL13928408 0.79 CASP1 (0.50) CCR1RAB9ACASP1
SCHEMBL7466235 0.76 PSMB5 (0.51) RAB9ACAPN1MEN1KMT2A
SCHEMBL13951159 0.75 CASP1 (0.47) CCR1RAB9ACASP1
SCHEMBL13928406 0.75 CASP1 (0.47) CCR1RAB9ACASP1
SCHEMBL701904 0.74 RAB9A (0.52) CCR1RAB9ACNR2HDAC3HDAC4
SCHEMBL8256575 0.74 PSMB5 (0.57) CCR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7687109 0.74 CCR1 (0.48) CCR1RAB9ACNR2CTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ CCR1 861/4885RAB9A 1289/4885CNR2 4228/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.